2-(3-cyano-6,7-dimethyl-quinolin-2-yl)sulfanyl-N-(3-ethanoylphenyl)ethanamide

Systemtic Name: 2-(3-cyano-6,7-dimethyl-quinolin-2-yl)sulfanyl-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[(3-cyano-6,7-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[(3-cyano-6,7-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(3-acetylphenyl)-2-[(3-cyano-6,7-dimethyl-2-quinolyl)thio]acetamide Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=CC=CC(=C3)C(=O)C)C#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=CC=CC(=C3)C(=O)C)C#N)C

InChI

InChI=1S/C22H19N3O2S/c1-13-7-17-9-18(11-23)22(25-20(17)8-14(13)2)28-12-21(27)24-19-6-4-5-16(10-19)15(3)26/h4-10H,12H2,1-3H3,(H,24,27)